Table 3.

Binding free energy (kcal/mol) analysis between Ras and RafRBD.*

	Ras-Raf	ppRas-Raf
$\mathrm{\Delta }{E}_{\mathit{vdw}}$a	−65.6703 (4.9437)	−56.9724 (6.6101)
$\mathrm{\Delta }{E}_{\mathit{ele}}$b	−238.8668 (19.1057)	−317.0302 (28.6552)
$\mathrm{\Delta }{E}_{\mathit{PB}}$c	228.1599 (16.8855)	301.3292 (27.2967)
$\mathrm{\Delta }{E}_{\mathit{nonpolar}}$d	−7.6188 (0.4523)	−6.6340 (0.7461)
$\mathrm{\Delta }{E}_{\mathit{MM}}$e	−304.5371 (19.3384)	−374.0026 (31.1789)
$\mathrm{\Delta }{G}_{\mathit{solv}}$f	220.5411 (16.6823)	294.6953 (26.7403)
$\mathrm{\Delta }{\mathit{G}}_{\mathit{b}\mathit{i}\mathit{n}\mathit{d}\mathit{i}\mathit{n}\mathit{g}}$	−83.9960 (4.9329)	−79.3073 (7.1762)

*a. The van der Waals component and b. the electrostatic component in the change of the total molecular mechanical energy of the Ras–RafRBD complex. c. The electrostatic component determined by the Poisson Boltzmann (PB) equation. d. The nonpolar component determined by the solvent-accessible surface term in the change of the solvation free energy. e. Total molecular mechanical energy change and f. total solvation energy change. All numbers in parentheses represent standard deviations.